On 14/02/2019 19:44, Colin Bournez wrote:
Dear all,
I would like to know if there is the possibility to use the Scaffold
Tree algorithm in RDKit?
In the documentation, there is an existing page :
http://rdkit.org/docs/source/rdkit.Chem.Scaffolds.ScaffoldTree.html
[1]
But it is empty...
Maybe this open source software can do what you need:
http://scaffoldhunter.sourceforge.net/
Regards,
F.
I also saw message in rdkit list from 2015 but since there nothing.
Are there any news?
Cheers,
--
Signature
*
BOURNEZ COLIN [2] [3]
Chemoinformatics PhD Student
INSTITUTE OF ORGANIC AND ANALYTICAL CHEMISTRY (ICOA UMR7311)
Université d'Orléans - Pôle de Chimie
Rue de Chartres - BP 6759
45067 Orléans Cedex 2 - France
+33 (0)2 38 49 45 77 [4]
SBC Tool Platform [5] - SBC Team [6] [7]
[8]
[9]
[10]
Links:
------
[1] http://rdkit.org/docs/source/rdkit.Chem.Scaffolds.ScaffoldTree.html
[2] https://www.linkedin.com/in/colin-bournez-b9a1b2b7/
[3] http://www.icoa.fr/
[4] tel:+33%202%2038%2049%2045%2077
[5] http://sbc.icoa.fr/
[6] http://www.icoa.fr/bonnet
[7] http://www.icoa.fr/fr/rss.xml
[8]
https://www.facebook.com/pages/Institut-de-Chimie-Organique-et-Analytique-ICOA-umr7311/222060911297163
[9] https://twitter.com/ICOA_UMR7311
[10]
https://www.linkedin.com/company/institut-de-chimie-organique-et-analytique---icoa-umr7311/
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